ChemDiv3_003567
TL;DR: ChemDiv3_003567 (CAS 371929-89-4) is a chemical compound with molecular formula C24H35N5S and molecular weight 425.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-cyclohexylpiperazine-1-carbothioamide
Also Known As: ChemDiv3_003567, IDI1_021477, BRD-K12751465-001-01-5, 4-[4-cyano-1-(propan-2-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]-N-cyclohexylpiperazine-1-carbothioamide, 4-(4-cyano-1-isopropyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-cyclohexylpiperazine-1-carbothioamide
| Molecular Formula | C24H35N5S |
|---|---|
| Molecular Weight | 425.26 g/mol |
| LogP | 4.28468 |
| Topological Polar Surface Area | 55.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.26132 |
| Heavy Atoms | 30 |
| Complexity | 813.86566 |
Chemical Identifiers
| CAS Number | 371929-89-4 |
|---|---|
| SMILES | CC(C)C1=NC(=C(C2=C1CCCC2)C#N)N3CCN(CC3)C(=S)NC4CCCCC4 |
Product Overview
ChemDiv3_003567 (CAS 371929-89-4), with molecular formula C24H35N5S and molecular weight 425.26 g/mol. IUPAC: 4-(4-cyano-1-propan-2-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)-N-cyclohexylpiperazine-1-carbothioamide.
Chemical Property Profile of ChemDiv3_003567
Property Insights of ChemDiv3_003567
The XLogP value of 4.28468 indicates that ChemDiv3_003567 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.19 Ų, ChemDiv3_003567 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_003567 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv3_003567?
The CAS number of ChemDiv3_003567 is 371929-89-4.
What is the molecular formula of ChemDiv3_003567?
The molecular formula of ChemDiv3_003567 is C24H35N5S.
What is the molecular weight of ChemDiv3_003567?
The molecular weight of ChemDiv3_003567 is 425.26 g/mol.
Where can I buy ChemDiv3_003567?
You can request a quote for ChemDiv3_003567 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003567?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003567 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.